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CHEBI:227385 - Saponaceolide K

ChEBI IDCHEBI:227385
ChEBI NameSaponaceolide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O8
Net Charge0
Average Mass558.712
Monoisotopic Mass558.31927
SMILESC=C1CC[C@@H](CC=C2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1[C@H](C=C1CCOC1=O)OC(C)=O
InChIInChI=1S/C32H46O8/c1-20-8-10-24(28(3,4)26(20)25(38-21(2)33)18-23-13-17-36-27(23)34)11-9-22-12-14-32(37-19-22)30(7)15-16-31(35,40-32)29(5,6)39-30/h9,18,24-26,35H,1,8,10-17,19H2,2-7H3/t24-,25-,26+,30-,31-,32-/m0/s1
InChIKeyWEACMKWCRPZOKI-BIOAAGCXSA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Saponaceolide K (CHEBI:227385) is a ketal (CHEBI:59777)
IUPAC Name 
[(1S)-1-[(1S,3S)-3-[2-[(1S,3S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-ylidene]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]-2-(2-oxooxolan-3-ylidene)ethyl] acetate